Molecule

ID:29880

General Information
Structure
MolImage
Molecular Formula
C₃HCl₂N₃
Molecular Mass
149.96614
Exact Mass
148.95475241
Charge
0
InChI
InChI=1S/C3HCl2N3/c4-2-6-1-7-3(5)8-2/h1H
InChIKey
OMRXVBREYFZQHU-UHFFFAOYSA-N
Canonic Smiles
Clc1ncnc(n1)Cl
Isomeric Smiles
n1cnc(nc1Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6728327
LogD (pH = 7.4)
1.6728327
Log P
1.6728327
Molar Refractivity
33.5188
Polarizability
11.872467
Polar Surface Area
38.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation